RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 -2.7069 3.4603 -1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 2.8387 -0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 1.4204 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0427 0.4409 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -0.2925 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.0188 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.7483 -1.7942 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 0.1676 -2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -1.9730 0.1774 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0573 -3.4154 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -4.2288 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -3.5143 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -2.0920 -0.5626 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7730 -0.9991 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -0.7693 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3535 -1.6868 2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -0.9891 3.2289 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 0.3141 2.9935 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6395 0.4680 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 1.9044 1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 2.2355 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 3.6293 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 4.3136 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 3.2834 1.9785 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 4.5018 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 2.9284 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 3.4490 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 2.8483 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 3.4701 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 1.4146 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9963 1.1009 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -0.2868 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -1.6600 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 -3.6669 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7936 -3.6061 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -4.2175 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -5.2746 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -3.5658 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 -3.8902 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -1.9286 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 -1.2046 -0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 -0.0995 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -2.7537 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 -1.3310 4.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 1.5509 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 4.1043 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 5.3683 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 1 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END